AB01300596-01
TL;DR: AB01300596-01 (CAS 919977-60-9) is a chemical compound with molecular formula C21H26ClN3O4S and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
Also Known As: AB01300596-01, 2-(4-chloro-3,5-dimethylphenoxy)-N-{2-[4-(methylsulfonyl)piperazin-1-yl]phenyl}acetamide, 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide, 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-(4-(methylsulfonyl)piperazin-1-yl)phenyl)acetamide, 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
| Molecular Formula | C21H26ClN3O4S |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 3.05594 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.13327 |
| Heavy Atoms | 30 |
| Complexity | 1011.2922 |
Chemical Identifiers
| CAS Number | 919977-60-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C |
Product Overview
AB01300596-01 (CAS 919977-60-9), with molecular formula C21H26ClN3O4S and molecular weight 451.13 g/mol. IUPAC: 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide.
Chemical Property Profile of AB01300596-01
Property Insights of AB01300596-01
The XLogP value of 3.05594 indicates that AB01300596-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01300596-01. Following Lipinski's Rule of Five, AB01300596-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01300596-01?
The CAS number of AB01300596-01 is 919977-60-9.
What is the molecular formula of AB01300596-01?
The molecular formula of AB01300596-01 is C21H26ClN3O4S.
What is the molecular weight of AB01300596-01?
The molecular weight of AB01300596-01 is 451.13 g/mol.
Where can I buy AB01300596-01?
You can request a quote for AB01300596-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01300596-01?
Yes, KEHONG BIO provides custom synthesis services for AB01300596-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.